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GPCR

NameKappa-type opioid receptor
SpeciesHomo sapiens (Human)
GeneOPRK1
SynonymK-OR-1
KOPr
OP2
KOP
KOR-1
[ Show all ]
DiseaseObesity
Opiate dependence
Inflammatory bowel disease
Erythema
Diarrhea-predominant IBS
[ Show all ]
Length380
Amino acid sequenceMDSPIQIFRGEPGPTCAPSACLPPNSSAWFPGWAEPDSNGSAGSEDAQLEPAHISPAIPVIITAVYSVVFVVGLVGNSLVMFVIIRYTKMKTATNIYIFNLALADALVTTTMPFQSTVYLMNSWPFGDVLCKIVISIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPLKAKIINICIWLLSSSVGISAIVLGGTKVREDVDVIECSLQFPDDDYSWWDLFMKICVFIFAFVIPVLIIIVCYTLMILRLKSVRLLSGSREKDRNLRRITRLVLVVVAVFVVCWTPIHIFILVEALGSTSHSTAALSSYYFCIALGYTNSSLNPILYAFLDENFKRCFRDFCFPLKMRMERQSTSRVRNTVQDPAYLRDIDGMNKPV
UniProtP41145
Protein Data Bank6b73, 4djh
GPCR-HGmod modelP41145
3D structure modelThis structure is from PDB ID 6b73.
BioLiPBL0402244,BL0402246, BL0224693,BL0224694, BL0402243,BL0402245
Therapeutic Target DatabaseT60693
ChEMBLCHEMBL237
IUPHAR318
DrugBankBE0000632

Ligand

NameNorbinaltorphimine
Molecular formulaC40H43N3O6
IUPAC name(1S,2S,7S,8S,12R,20R,24R,32R)-11,33-bis(cyclopropylmethyl)-19,25-dioxa-11,22,33-triazaundecacyclo[24.9.1.18,14.01,24.02,32.04,23.05,21.07,12.08,20.030,36.018,37]heptatriaconta-4(23),5(21),14(37),15,17,26,28,30(36)-octaene-2,7,17,27-tetrol
Molecular weight661.799
Hydrogen bond acceptor8
Hydrogen bond donor5
XlogP3.2
Synonyms(-)-norbinaltorphimine
4,8:11,15-Dimethano-20H-bisbenzofuro(2,3-a:3',2'-i)dipyrido(4,3-b:3',4'-h)carbazole-1,8a,10a,18-tetrol,7,12-bis(cyclopropylmethyl)-5,6,7,8,9,10,11,12,13,14,19a,20b-dodecahydro-20-methyl-, (8R-(4bR*,8a
CCG-204890
LS-62008
NOR-BNI (HCI)2
[ Show all ]
Inchi KeyAPSUXPSYBJVPPS-YAUKWVCOSA-N
Inchi IDInChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1
PubChem CID5480230
ChEMBLCHEMBL573214
IUPHAR1642
BindingDB82551
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Activity50.0 %PMID20568781ChEMBL
EC500.039 Ke nM-1PMID12672258ChEMBL
EC500.039 nMPMID12672258BindingDB
EC506.0 nMPMID20568781BindingDB,ChEMBL
IC500.28 nMPMID25593096ChEMBL
IC500.28 nMPMID25593096BindingDB
IC502.1 nMPMID20727752, PMID20719509BindingDB,ChEMBL
IC502.5 nMPMID25593096BindingDB,ChEMBL
IC504.37 nMPMID12747782ChEMBL
IC504.4 nMPMID12747782BindingDB
IC504.6 nMPMID25593096BindingDB,ChEMBL
Inhibition<86.0 %PMID25593096ChEMBL
Kb0.798 nMPMID21958337ChEMBL
Ke0.03 nMPMID15456250ChEMBL
Ke0.039 nMPMID24973818ChEMBL
Ke0.04 nMPMID12519069, PMID12139463, PMID14640558, PMID23360448, PMID16366600, PMID12825951, PMID12723940ChEMBL
Ke0.05 nMPMID26342544, PMID20568781, PMID19954245, PMID23651437, PMID16509593, PMID17685652ChEMBL
Ke0.11 nMPMID21570305, PMID21684752, PMID17625813, PMID15743210, PMID19053757ChEMBL
Ki0.01 - 1.25893 nMPMID9686407, PMID7869844, PMID7624359, PMID9262330, PMID2444704IUPHAR
Ki0.02 nMPMID8114680BindingDB
Ki0.027 nMPMID19027293ChEMBL
Ki0.027 nMPMID19027293BindingDB
Ki0.039 nMPMID11055333ChEMBL
Ki0.039 nMPMID11055333BindingDB
Ki0.07 nMPMID11495579BindingDB
Ki0.07 nMPMID11495579ChEMBL
Ki0.1259 nMPMID17490886ChEMBL
Ki0.13 nMPMID10780914BindingDB,ChEMBL
Ki0.15 nMPMID25513968ChEMBL
Ki0.15 nMPMID25513968BindingDB
Ki0.153 nMPMID21958337BindingDB
Ki0.153 nMPMID21958337ChEMBL
Ki0.19 nMPMID21621410ChEMBL
Ki0.19 nMPMID21621410BindingDB
Ki0.2 nMPMID12672258, PMID12825951, PMID12519069, PMID15456250, PMID11055333, PMID24973818, PMID14640558BindingDB
Ki0.2 nMPMID12672258, PMID9686407, PMID12825951, PMID12519069, PMID15456250, PMID11055333, PMID24973818, PMID14640558BindingDB,ChEMBL
Ki0.23 nMPMID21621410ChEMBL
Ki0.23 nMPMID21621410BindingDB
Ki0.34 nMPMID20441176BindingDB
Ki0.34 nMPMID20441176ChEMBL
Ki0.36 nMPMID10893307BindingDB
Ki0.36 nMPMID10893307ChEMBL
Ki0.37 nMPMID12747782BindingDB
Ki0.37 nMPMID12747782ChEMBL
Ki0.4 nMPMID15743210ChEMBL
Ki0.85 nMPMID21744827BindingDB
Ki0.85 nMPMID21744827ChEMBL
Ki0.9 nMPMID20727752ChEMBL
Ki0.9 nMPMID20727752BindingDB
Ki12.8 nMPMID10780914BindingDB,ChEMBL
Ki12.9 nMPMID10780914BindingDB,ChEMBL
Max inhibition100.0 %PMID12747782ChEMBL
Max stimulation-13.0 %PMID12747782ChEMBL
Ratio0.01 -PMID12565965ChEMBL
Ratio181.0 -PMID1849995ChEMBL
Ratio473.0 -PMID1849995ChEMBL

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